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	hartrees
Energy at 0K	-297.696084
Energy at 298.15K	-297.703662
HF Energy	-297.696084
Nuclear repulsion energy	231.971783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3271	3168	0.65
2	A	3169	3068	1.20
3	A	3133	3033	7.50
4	A	3061	2964	18.02
5	A	1520	1472	5.77
6	A	1492	1444	9.53
7	A	1478	1431	10.44
8	A	1452	1406	1.01
9	A	1394	1350	14.18
10	A	1309	1268	11.49
11	A	1291	1250	9.03
12	A	1221	1182	10.95
13	A	1158	1121	9.77
14	A	1149	1113	0.01
15	A	1034	1001	27.11
16	A	1023	991	17.20
17	A	1013	981	4.47
18	A	895	867	12.63
19	A	722	699	4.60
20	A	706	683	12.64
21	A	691	669	7.06
22	A	360	348	4.72
23	A	231	224	4.27
24	A	92	89	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	2.307	-1.195	0.000
C2	1.410	-0.599	0.000
N3	0.190	-1.114	-0.000
N4	1.404	0.755	0.000
N5	0.147	1.103	-0.000
N6	-0.552	-0.014	-0.000
H7	-2.360	-0.555	-0.888
H8	-2.339	0.997	-0.004
H9	-2.360	-0.549	0.892
C10	-2.004	-0.036	0.000

	H1	C2	N3	N4	N5	N6	H7	H8	H9	C10
H1		1.0767	2.1183	2.1492	3.1543	3.0927	4.7935	5.1375	4.7951	4.4642
C2	1.0767		1.3240	1.3544	2.1202	2.0469	3.8735	4.0751	3.8744	3.4604
N3	2.1183	1.3240		2.2283	2.2177	1.3264	2.7574	3.2947	2.7602	2.4448
N4	2.1492	1.3544	2.2283		1.3043	2.1010	4.0830	3.7507	4.0817	3.4984
N5	3.1543	2.1202	2.2177	1.3043		1.3177	3.1342	2.4881	3.1319	2.4339
N6	3.0927	2.0469	1.3264	2.1010	1.3177		2.0861	2.0541	2.0864	1.4528
H7	4.7935	3.8735	2.7574	4.0830	3.1342	2.0861		1.7872	1.7805	1.0888
H8	5.1375	4.0751	3.2947	3.7507	2.4881	2.0541	1.7872		1.7871	1.0863
H9	4.7951	3.8744	2.7602	4.0817	3.1319	2.0864	1.7805	1.7871		1.0889
C10	4.4642	3.4604	2.4448	3.4984	2.4339	1.4528	1.0888	1.0863	1.0889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	N3	123.534	H1	C2	N4	123.868
C2	N3	N6	101.126	C2	N4	N5	105.760
N3	C2	N4	112.598	N3	N6	N5	114.013
N3	N6	C10	123.140	N4	N5	N6	106.502
N5	N6	C10	122.847	N6	C10	H7	109.492
N6	C10	H8	107.110	N6	C10	H9	109.508
H7	C10	H8	110.500	H7	C10	H9	109.695
H8	C10	H9	110.492

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.107
2	C	0.001
3	N	-0.200
4	N	-0.161
5	N	-0.096
6	N	0.142
7	H	0.100
8	H	0.106
9	H	0.100
10	C	-0.098

	x	y	z	Total
	-2.474	-1.426	-0.000	2.856
CHELPG
AIM
ESP

	x	y	z
x	9.440	-0.148	-0.000
y	-0.148	7.172	0.000
z	-0.000	0.000	4.621

<r²>	123.838
(<r²>)^1/2	11.128

All results from a given calculation for C2H4N4 (2H-Tetrazole, 2-methyl-)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄N₄ (2H-Tetrazole, 2-methyl-)